Bichoutskaia E. (Ed.) Computational Nanoscience

Royal Society of Chemistry, 2011. — 445 p. — (RSC Theoretical and Computational Chemistry Series No. 4). — ISBN: 1849731330.Nanoscience, in the view of the editor, is one of the most exciting modern scientific disciplines as it is concerned with materials and systems, which exhibit novel physical and chemical properties due to their nanoscale size. It stretches across the whole spectrum of science including medicine and health, physics, engineering and chemistry. It provides a deep understanding of the behavior of matter at the scale of individual atoms and molecules which is a crucial step towards future applications of nanotechnology.
The Computational Nanoscience book addresses modern challenges in the computational science, within the context of the rapidly evolving field of nanotechnology. It satisfies the need for a comprehensive, yet concise and up-to-date, survey of new developments and applications presented by the world’s leading academics. It documents major recent advances in scientific computation, mathematical models and theory development that specifically target the applications in nanotechnology. The remarkable improvements in both theoretical methods and computational techniques make it possible for modern computational nanoscience to achieve a new level of accuracy. Computational nanoscience is now a discipline capable of leading and guiding experimental efforts
This comprehensive and up-to-date survey of new developments and applications in computational nanoscience is suitable for theoreticians, researchers and students.RSC Theoretical and Computational Chemistry Series. Titles in the Series:
Knowledge-based Expert Systems in Chemistry: Not Counting on Computers
Non-Covalent Interactions: Theory and Experiment
Single-Ion Solvation: Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities
Computational Nanoscience
Computational Quantum Chemistry: Molecular Structure and Properties in Silico
Reaction Rate Constant Computations: Theories and Applications
Theory of Molecular CollisionsAlgorithms for Predicting the Physical Properties of Nanocrystals and Large Clusters
Rational Design of Mixed Nanoclusters: Metal Shells Supported and Shaped by Molecular Cores
Self-Assembly of Nanoclusters: An Energy Landscape Perspective
Phase Transition under Confinement
Simulating Thermomechanical Phenomena of Nanoscale Systems
Computational Electrodynamics Methods
Electron Transport Theory for Large Systems
Theoretical Strategies for Functionalisation and Encapsulation of Nanotubes
Density Functional Calculations of NMR Chemical Shifts in Carbon Nanotubes
Computational Study of the Formation of Inorganic Nanotubes
Native and Irradiation-Induced Defects in Graphene: What Can We Learn from Atomistic Simulations?
The Atomic-, Nano-, and Mesoscale Origins of Graphite’s Response to Energetic Particles